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EC number: 614-396-3 | CAS number: 68298-12-4
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
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- Nanomaterial surface chemistry
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- Nanomaterial pour density
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- Endpoint summary
- Stability
- Biodegradation
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- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
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- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
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- Genetic toxicity
- Carcinogenicity
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- Specific investigations
- Exposure related observations in humans
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- Additional toxicological data

Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2002-02-18 to 2002-02-27
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 002
- Report date:
- 2002
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
Test material
- Reference substance name:
- 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
- EC Number:
- 614-396-3
- Cas Number:
- 68298-12-4
- Molecular formula:
- C5H4F9NO2S
- IUPAC Name:
- 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
Constituent 1
- Specific details on test material used for the study:
- - Physical state: White Crystals
- Analytical purity: 97.25%
- Storage condition of test material: ambient
Results and discussion
Water solubility
- Key result
- Water solubility:
- 359 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 4 500 mg/L
- Incubation duration:
- 3 d
- Temp.:
- 24 °C
- Remarks on result:
- other: % RSD = 5.6%, pH not determined
- Details on results:
- Water solubility reported as µg/mL and corrected for purity.
The average measured solubility for day1 was 357 µg/mL with %RSD of 0.9% (n=12); the average measured solubility for day 2 was 340 µg/mL with %RSD of 3.1% (n=12); the average measured solubility for day 3 was 380 µg/mL with %RSD of 5.5% (n=12). An overall average value of 359 µg/mL was reported. The overall %RSD was 5.6% (n=36).
Any other information on results incl. tables
Table 1. Water solubility results of MeFBSA
Solubility Conc. (µg/mL) | Solubility Conc. (µg/mL) | Solubility Conc. (µg/mL) | Solubility Conc. (µg/mL) | |
Samples | Time Point 1 (One Day) | Time Point 2 (Two Days) | Time Point 3 (Three Days) | Inter-day Average |
Vial 1, rep 1 | 358 | 341 | 359 |
|
Vial 1, rep 2 | 363 | 345 | 356 |
|
Vial 1, rep 3 | 353 | 359 | 361 |
|
Vial 1, rep 4 | 361 | 341 | 365 |
|
Vial 1 Average | 359 | 346 | 360 |
|
Vial 1 RSD% | 1.2% | 2.5% | 1.0% |
|
|
|
|
| |
Vial 2, rep 1 | 401 | 328 | 354 |
|
Vial 2, rep 2 | 332 | 314 | 391 |
|
Vial 2, rep 3 | 337 | 348 | 355 |
|
Vial 2, rep 4 | 344 | 322 | 417 |
|
Vial 2 Average | 353 | 328 | 379 |
|
Vial 2 RSD% | 9.0% | 4.5% | 8.1% |
|
|
|
|
| |
Vial 3, rep 1 | 369 | 347 | 378 |
|
Vial 3, rep 2 | 365 | 342 | 371 |
|
Vial 3, rep 3 | 352 | 351 | 448 |
|
Vial 3, rep 4 | 351 | 344 | 412 |
|
Vial 3 Average | 359 | 346 | 402 |
|
Vial 3 RSD% | 2.5% | 1.1% | 8.8% |
|
|
|
|
| |
Intra-day Average | 357 | 340 | 380 |
|
Intra-day %RSD | 0.9% | 3.1% | 5.5% |
|
Inter-day Average |
|
|
| 359 |
Inter-day %RSD |
|
|
| 5.6% |
Applicant's summary and conclusion
- Conclusions:
- Under the condition of the study, the water solubility of MeFBSA is 359 mg/L at 24-25 °C.
- Executive summary:
The water solubility of MeFBSA was determined using a shake flask method according to OPPTS
830.7840 “Water Solubility: Column Elution Method; Shake Flask Method” and OECD Guideline for
Testing of Chemicals, Test No. 105 “Water Solubility”.Triplicate samples were incubated for three time points at approximately 30°C with a shaker setting of
150 revolutions per minute (RPM). Test vessels were pulled at each time intervals and samples
were stored for overnight to equilibrate to ambient temperature. The test system vials were centrifuged and four aliquot samples were taken. The samples were diluted and analyzed by HPLC/MS.Under conditions of this study, the average measured water solubility of MeFBSA was 359 mg/L (5.6% RSD).
This is a guideline study conducted under GLP compliance. Therefore, it is considered reliable without
restriction.
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